Crystallography Open Database

Information card for entry 4331923

4331922 << 4331923 >> 4331924

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Coordinates	4331923.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	16.2691 ± 0.0009 Å
b	19.2402 ± 0.0011 Å
c	12.6693 ± 0.0008 Å
α	90°
β	95.237 ± 0.002°
γ	90°
Cell volume	3949.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1049
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1519
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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.	4331923.cif
97977	2014-01-29	cif/ Adding structures of 4331920, 4331921, 4331922, 4331923 via cif-deposit CGI script.	4331923.cif