Crystallography Open Database

Information card for entry 4322844

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Coordinates	4322844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Fe N10 Ni O P
Calculated formula	C72 H84 Fe2 N20 Ni2 O4 P2
Title of publication	Structure and Magnetic Properties of One-Dimensional PPh4[Ni(pn)2][M(CN)6].H2O (M = Fe, Cr, Co) Bimetallic Assemblies
Authors of publication	Masaaki Ohba; Naoki Usuki; Nobuo Fukita; Hisashi Ōkawa
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	3349 - 3354
a	12.958 ± 0.003 Å
b	8.437 ± 0.003 Å
c	17.25 ± 0.002 Å
α	90°
β	99.96 ± 0.01°
γ	90°
Cell volume	1857.5 ± 0.8 Å³
Cell temperature	20 K
Ambient diffraction temperature	20 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.064
Goodness-of-fit parameter for significantly intense reflections	4.4
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
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.	4322844.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322844.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322844.cif
21742	2011-06-28	../uploads/cif-deposit/cod/cif Adding structures of 4322844 via cif-deposit CGI script.	4322844.cif