Crystallography Open Database

Information card for entry 7058160

Preview

Coordinates	7058160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 Cl3 Cu Fe N4 O4 P2
Calculated formula	C46 H44 Cl3 Cu Fe N4 O4 P2
Title of publication	Heterobimetallic copper(i) complexes bearing both 1,1′-bis(diphenylphosphino)ferrocene and functionalized 3-(2′-pyridyl)-1,2,4-triazole
Authors of publication	Chen, Jing-Lin; Zeng, Xue-Hua; Ganesan, Paramaguru; He, Li-Hua; Liao, Jin-Sheng; Liu, Sui-Jun; Wen, He-Rui; Zhao, Feng; Chi, Yun
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	10
Pages of publication	4261
a	12.2325 ± 0.0007 Å
b	12.7959 ± 0.0007 Å
c	16.1249 ± 0.0009 Å
α	79.572 ± 0.002°
β	68.821 ± 0.001°
γ	78.86 ± 0.001°
Cell volume	2292 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0814
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224691 (current)	2019-11-08	cif/ Updating files of 7058154, 7058155, 7058156, 7058157, 7058158, 7058159, 7058160 Original log message: Adding full bibliography for 7058154--7058160.cif.	7058160.cif
213553	2019-02-08	cif/ Adding structures of 7058154, 7058155, 7058156, 7058157, 7058158, 7058159, 7058160 via cif-deposit CGI script.	7058160.cif