Crystallography Open Database

Information card for entry 4331922

4331921 << 4331922 >> 4331923

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Coordinates	4331922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H22 Fe N6 S12
Calculated formula	C32 H22 Fe N6 S12
Title of publication	Pressure Effect on Bulk Weak Ferromagnets: (BDH-TTP)[M(isoq)2(NCS)4] (M = CrIII, FeIII; isoq = Isoquinoline)
Authors of publication	Kudo, Satoshi; Miyazaki, Akira; Enoki, Toshiaki; Golhen, Stéphane; Ouahab, Lahcène; Toita, Takashi; Yamada, Jun-ichi
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	9
Pages of publication	3718 - 3725
a	16.177 ± 0.0006 Å
b	19.0467 ± 0.0006 Å
c	12.4388 ± 0.0005 Å
α	90°
β	93.7432 ± 0.0014°
γ	90°
Cell volume	3824.4 ± 0.2 Å³
Cell temperature	18 ± 2 K
Ambient diffraction temperature	18 ± 2 K
Number of distinct elements	5
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	0.0494
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
179422 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/19.	4331922.cif
97977	2014-01-29	cif/ Adding structures of 4331920, 4331921, 4331922, 4331923 via cif-deposit CGI script.	4331922.cif