Crystallography Open Database

Information card for entry 7714535

Preview

Coordinates	7714535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Cl2 Co N6 O11
Calculated formula	C40 H42 Cl2 Co N6 O11
Title of publication	Exploring a prototype for cooperative structural phase transition in cobalt(II) spin crossover compounds.
Authors of publication	Deng, Yi-Fei; Wang, Yi-Nuo; Zhao, Xin-Hua; Zhang, Yuan-Zhu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	2
Pages of publication	699 - 705
a	13.8068 ± 0.0012 Å
b	20.3436 ± 0.0017 Å
c	14.7359 ± 0.0013 Å
α	90°
β	92.102 ± 0.003°
γ	90°
Cell volume	4136.2 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.98 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0769
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1606
Weighted residual factors for all reflections included in the refinement	0.1676
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289516 (current)	2024-02-04	cif/ Updating files of 7714535, 7714536, 7714537, 7714538, 7714539 Original log message: Adding full bibliography for 7714535--7714539.cif.	7714535.cif
287766	2023-11-24	cif/ Adding structures of 7714535, 7714536, 7714537, 7714538, 7714539 via cif-deposit CGI script.	7714535.cif