Crystallography Open Database

Information card for entry 4309133

Preview

Coordinates	4309133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 Cl2 Fe N18 O8
Calculated formula	C24 H36 Cl2 Fe N18 O8
Title of publication	1,4-Di(1,2,3-triazol-1-yl)butane as Building Block for the Preparation of the Iron(II) Spin-Crossover 2D Coordination Polymer
Authors of publication	Robert Bronisz
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4463 - 4465
a	11.6562 ± 0.0012 Å
b	11.6562 ± 0.0012 Å
c	7.7453 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	911.35 ± 0.17 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.195
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179129 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/91.	4309133.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309133.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309133.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309133.cif