Crystallography Open Database

Information card for entry 7205816

7205815 << 7205816 >> 7205817

Preview

Coordinates	7205816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H99 Br6 N9 Ni3 O28
Calculated formula	C82 H99 Br6 N9 Ni3 O28
Title of publication	Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)
Authors of publication	Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2915
a	28.336 ± 0.006 Å
b	8.9991 ± 0.0018 Å
c	21.869 ± 0.004 Å
α	90°
β	110.33 ± 0.03°
γ	90°
Cell volume	5229 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1406
Residual factor for significantly intense reflections	0.0802
Weighted residual factors for significantly intense reflections	0.1967
Weighted residual factors for all reflections included in the refinement	0.2377
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
180389 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/58.	7205816.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205816.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205816.cif
21020	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205813, 7205814, 7205815, 7205816, 7205817, 7205818, 7205819 via cif-deposit CGI script.	7205816.cif