Crystallography Open Database

Information card for entry 7205181

7205180 << 7205181 >> 7205182

Preview

Coordinates	7205181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H78 N24 Ni6 O11
Calculated formula	C96 H72 N24 Ni6 O11
Title of publication	Synthesis, structures, and properties of three coordination compounds based on trinickel clusters extended by phenyldicarboxylate ligands
Authors of publication	Zhang, Jing; Zhu, Long-Guan
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	2
Pages of publication	553
a	11.2011 ± 0.0004 Å
b	20.4224 ± 0.0007 Å
c	21.3284 ± 0.0007 Å
α	87.517 ± 0.001°
β	88.43 ± 0.001°
γ	74.111 ± 0.001°
Cell volume	4687.5 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1192
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1495
Weighted residual factors for all reflections included in the refinement	0.188
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
180382 (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 7/20/51.	7205181.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205181.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205181.cif
14567	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7205180, 7205181, 7205182 via cif-deposit CGI script.	7205181.cif