Crystallography Open Database

Information card for entry 7028497

Preview

Coordinates	7028497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H132 B3 N9 Ni3 O3 S3
Calculated formula	C102 H114 B3 N9 Ni3 S3
Title of publication	A streamlined synthesis of extended thiophloroglucinol ligands and their trinuclear Ni(II)3 complexes.
Authors of publication	Feldscher, Bastian; Theil, Hubert; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	10
Pages of publication	4102 - 4114
a	17.7065 ± 0.0011 Å
b	33.162 ± 0.002 Å
c	17.0365 ± 0.001 Å
α	90°
β	90.034 ± 0.003°
γ	90°
Cell volume	10003.5 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0773
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1914
Weighted residual factors for all reflections included in the refinement	0.1987
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179990 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/84.	7028497.cif
105346	2014-03-12	cif/ Adding structures of 7028497, 7028498, 7028499, 7028500 via cif-deposit CGI script.	7028497.cif