Crystallography Open Database

Information card for entry 4339245

Preview

Coordinates	4339245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H54 Cl4 Fe2 N48 O20
Calculated formula	C37.98 H53.94 Cl4 Fe2 N48 O19.99
Title of publication	Tetrazol-2-yl as a donor group for incorporation of a spin-crossover function based on Fe(II) ions into a coordination network.
Authors of publication	Bronisz, Robert
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6733 - 6739
a	17.2576 ± 0.0008 Å
b	17.2576 ± 0.0008 Å
c	20.8493 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	5377.5 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179495 (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 4/33/92.	4339245.cif
117225	2014-06-14	cif/ Adding structures of 4339244, 4339245, 4339246, 4339247, 4339248 via cif-deposit CGI script.	4339245.cif