Crystallography Open Database

Information card for entry 7111112

Preview

Coordinates	7111112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H56 N6 Ni O6
Calculated formula	C62 H56 N6 Ni O6
Title of publication	Selective formation of rectangular grid coordination polymers with grid dimensions 10 ×15, 10 ×20 and 15 ×20 Å
Authors of publication	Biradha, Kumar; Fujita, Makoto
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	1
Pages of publication	15
a	16.1225 ± 0.0019 Å
b	11.3408 ± 0.0013 Å
c	31.106 ± 0.004 Å
α	90°
β	104.19 ± 0.002°
γ	90°
Cell volume	5513.9 ± 1.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1189
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1412
Weighted residual factors for all reflections included in the refinement	0.1654
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
180225 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/11.	7111112.cif
96245	2014-01-29	cif/ Adding structures of 7111112, 7111113, 7111114 via cif-deposit CGI script.	7111112.cif