Crystallography Open Database

Information card for entry 7714539

Preview

Coordinates	7714539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H64 Cl4 Co2 N10 O18
Calculated formula	C66 H64 Cl4 Co2 N10 O18
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	40.42 ± 0.005 Å
b	7.1577 ± 0.0009 Å
c	24.126 ± 0.003 Å
α	90°
β	105.011 ± 0.004°
γ	90°
Cell volume	6741.8 ± 1.5 Å³
Cell temperature	250.19 K
Ambient diffraction temperature	250.19 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1597
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	7714539.cif
287766	2023-11-24	cif/ Adding structures of 7714535, 7714536, 7714537, 7714538, 7714539 via cif-deposit CGI script.	7714539.cif