Crystallography Open Database

Information card for entry 4337195

Preview

Coordinates	4337195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H156 Br3 N57 Ni9 O7
Calculated formula	C108 H156 Br3.04 N57 Ni9 O7
Title of publication	Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.
Authors of publication	Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	1113 - 1121
a	18.0774 ± 0.0008 Å
b	18.0774 ± 0.0008 Å
c	72.889 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	20628.4 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1466
Weighted residual factors for all reflections included in the refinement	0.1676
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
179474 (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 4/33/71.	4337195.cif
106199	2014-03-15	cif/ Adding structures of 4337186, 4337187, 4337188, 4337189, 4337190, 4337191, 4337192, 4337193, 4337194, 4337195, 4337196, 4337197 via cif-deposit CGI script.	4337195.cif