Crystallography Open Database

Information card for entry 7716655

Preview

Coordinates	7716655.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H45 Co N4 O19.75 P
Calculated formula	C22 H45 Co N4 O19.75 P
Title of publication	Exploring enantioselective recognition of dTMP-Co-bpe coordination polymer for natural amino acids using molecular simulations and circular dichroism.
Authors of publication	Zohaib, Hafiz Muhammad; Saqlain, Madiha; Khan, Maroof Ahmad; Masood, Sara; Gul, Ijaz; Irfan, Muhammad; Li, Hui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	31
Pages of publication	13076 - 13086
a	13.6235 ± 0.0016 Å
b	14.122 ± 0.002 Å
c	17.971 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3457.5 ± 0.9 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
294567 (current)	2024-09-06	cif/ Updating files of 7716655 Original log message: Adding full bibliography for 7716655.cif.	7716655.cif
293451	2024-07-18	cif/ Adding structures of 7716655 via cif-deposit CGI script.	7716655.cif