Crystallography Open Database

Information card for entry 1562601

Preview

Coordinates	1562601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H48 Cd2 N4 O16
Calculated formula	C44 H48 Cd2 N4 O16
SMILES	C(=O)(C(=C)C)Nc1c(C2=[O][Cd]34([O]=C(O4)c4ccccc4NC(=O)C(=C)C)([OH2])([O]2[Cd]24([O]3C(c3ccccc3NC(=O)C(=C)C)=[O]2)(OC(=[O]4)c2ccccc2NC(=O)C(=C)C)([OH2])[OH2])[OH2])cccc1
Title of publication	Synthesis, structures of four coordination compounds constructed from o-methacrylamidobenzoic acid and their relationship between structure and solid state luminescence
Authors of publication	Chen, Hong-Xia; Ma, Yong; Zhou, Feng; Wu, Bing; Xu, Qing-Feng; Lu, Jian-Mei; Ge, Jian-Feng
Journal of publication	Journal of Solid State Chemistry
Year of publication	2013
Journal volume	203
Pages of publication	1 - 7
a	8.9842 ± 0.0005 Å
b	10.1349 ± 0.0008 Å
c	13.8013 ± 0.001 Å
α	80.705 ± 0.006°
β	87.854 ± 0.005°
γ	72.433 ± 0.006°
Cell volume	1182.24 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.0641
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
265274 (current)	2021-05-17	cif/ Adding structures of 1562600, 1562601, 1562602, 1562603 via cif-deposit CGI script.	1562601.cif