Crystallography Open Database

Information card for entry 4109349

Preview

Coordinates	4109349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H34 B2 F8 Fe3 N10 O
Calculated formula	C49 H40 B2 F8 Fe3 N10 O
Title of publication	Magnetic Bistability and Single-Crystal-to-Single-Crystal Transformation Induced by Guest Desorption
Authors of publication	Masayuki Nihei; Lingqin Han; Hiroki Oshio
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	5312 - 5313
a	25.42 ± 0.02 Å
b	12.686 ± 0.012 Å
c	20.653 ± 0.019 Å
α	90°
β	126.569 ± 0.014°
γ	90°
Cell volume	5349 ± 8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.167
Residual factor for significantly intense reflections	0.1135
Weighted residual factors for significantly intense reflections	0.3457
Weighted residual factors for all reflections included in the refinement	0.3845
Goodness-of-fit parameter for all reflections included in the refinement	1.238
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
178839 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/93.	4109349.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109349.cif
58115	2012-05-25	cif/ Adding structures of 4109349 via cif-deposit CGI script.	4109349.cif