Crystallography Open Database

Information card for entry 7707799

Preview

Coordinates	7707799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H60 B2 Fe N10
Calculated formula	C40 H60 B2 Fe N10
Title of publication	Spin-crossover iron(ii) long-chain complex with slow spin equilibrium at low temperatures.
Authors of publication	Zhao, Qi; Xue, Jin-Peng; Liu, Zhi-Kun; Yao, Zi-Shuo; Tao, Jun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	32
Pages of publication	11106 - 11112
a	10.528 ± 0.001 Å
b	22.6959 ± 0.0019 Å
c	35.72 ± 0.003 Å
α	90°
β	92.678 ± 0.007°
γ	90°
Cell volume	8525.7 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1417
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.1668
Weighted residual factors for all reflections included in the refinement	0.1955
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268739 (current)	2021-09-06	cif/ Updating files of 7707799 Original log message: Adding full bibliography for 7707799.cif.	7707799.cif
266971	2021-07-04	cif/ Adding structures of 7707799 via cif-deposit CGI script.	7707799.cif