Crystallography Open Database

Information card for entry 7054317

Preview

Coordinates	7054317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 B Br3 F4 N9 Ni2 O3
Calculated formula	C27 H33 B Br3 F4 N9 Ni2 O3
Title of publication	Ferromagnetic versus antiferromagnetic exchange in oximato-bridged nickel(ii) complexes
Authors of publication	An, Guang-Yu; Wang, Hong-Bo; Cui, Ai-Li; Kou, Hui-Zhong
Journal of publication	New J. Chem.
Year of publication	2014
Journal volume	38
Journal issue	10
Pages of publication	5037
a	12.518 ± 0.003 Å
b	12.124 ± 0.002 Å
c	22.749 ± 0.005 Å
α	90°
β	93.34 ± 0.03°
γ	90°
Cell volume	3446.7 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1986
Weighted residual factors for all reflections included in the refinement	0.2188
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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
180097 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/43.	7054317.cif
124856	2014-10-06	cif/ Updating files of 7054316, 7054317, 7054318, 7054319, 7054320 Original log message: Adding full bibliography for 7054316--7054320.cif.	7054317.cif
121523	2014-08-07	cif/ Adding structures of 7054316, 7054317, 7054318, 7054319 via cif-deposit CGI script.	7054317.cif