Crystallography Open Database

Information card for entry 4124221

Preview

Coordinates	4124221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 Mn2 N24 Nb O4
Calculated formula	C32 H40 Mn2 N24 Nb O4
Title of publication	Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.
Authors of publication	Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	27
Pages of publication	8795 - 8802
a	21.14 ± 0.003 Å
b	21.14 ± 0.003 Å
c	8.903 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3978.7 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Cell measurement pressure	2710000 kPa
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1413
Residual factor for significantly intense reflections	0.1129
Weighted residual factors for significantly intense reflections	0.3092
Weighted residual factors for all reflections included in the refinement	0.3485
Goodness-of-fit parameter for all reflections included in the refinement	1.182
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4124221.cif
152745	2015-08-04	cif/ Adding structures of 4124213, 4124214, 4124215, 4124216, 4124217, 4124218, 4124219, 4124220, 4124221 via cif-deposit CGI script.	4124221.cif