Crystallography Open Database

Information card for entry 4109236

Preview

Coordinates	4109236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H63 Fe2 N21 Ni3 O6
Calculated formula	C30 H51 Fe2 N21 Ni3 O6
Title of publication	Reversible Water-Induced Magnetic and Structural Conversion of a Flexible Microporous Ni(II)Fe(III) Ferromagnet
Authors of publication	Nobuhiro Yanai; Wakako Kaneko; Ko Yoneda; Masaaki Ohba; Susumu Kitagawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3496 - 3497
a	24.044 ± 0.008 Å
b	14.343 ± 0.004 Å
c	16.688 ± 0.005 Å
α	90°
β	100.552 ± 0.004°
γ	90°
Cell volume	5658 ± 3 Å³
Cell temperature	243.1 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 significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.205
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109236.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109236.cif
57991	2012-05-23	cif/ Adding structures of 4109236 via cif-deposit CGI script.	4109236.cif