Crystallography Open Database

Information card for entry 7707921

Preview

Coordinates	7707921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.17 H40.34 B2 Fe N10 O4
Calculated formula	C32.172 H40.344 B2 Fe N10 O4
Title of publication	Auxiliary alkyl chain modulated spin crossover behaviour of [Fe(H<sub>2</sub>Bpz<sub>2</sub>)<sub>2</sub>(C<sub><i>n</i></sub>-bipy)] complexes.
Authors of publication	Guo, Yunnan; Rotaru, Aurelian; Müller-Bunz, Helge; Morgan, Grace G.; Zhang, Shishen; Xue, Shufang; Garcia, Yann
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	37
Pages of publication	12835 - 12842
a	29.3326 ± 0.0003 Å
b	14.4529 ± 0.0002 Å
c	16.441 ± 0.0002 Å
α	90°
β	98.9041 ± 0.0008°
γ	90°
Cell volume	6886.02 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0377
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269696 (current)	2021-10-06	cif/ Updating files of 7707918, 7707919, 7707920, 7707921 Original log message: Adding full bibliography for 7707918--7707921.cif.	7707921.cif
267776	2021-07-28	cif/ Adding structures of 7707918, 7707919, 7707920, 7707921 via cif-deposit CGI script.	7707921.cif