Crystallography Open Database

Information card for entry 7218831

Preview

Coordinates	7218831.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2a-(NiCpI)2
Formula	C44 H40 Cl6 I2 N6 Ni2 O4
Calculated formula	C44 H40 Cl6 I2 N6 Ni2 O4
Title of publication	Symmetrical non-chelating poly-N-heterocyclic carbenes
Authors of publication	Chen, Ying-Hsuan; Peng, Kai-En; Lee, Gene-Hsiang; Peng, Shie-Ming; Chiu, Ching-Wen
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	107
Pages of publication	62789
a	9.0998 ± 0.0003 Å
b	24.2692 ± 0.0007 Å
c	11.5148 ± 0.0004 Å
α	90°
β	109.274 ± 0.0013°
γ	90°
Cell volume	2400.45 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.169
Residual factor for significantly intense reflections	0.1254
Weighted residual factors for significantly intense reflections	0.3282
Weighted residual factors for all reflections included in the refinement	0.347
Goodness-of-fit parameter for all reflections included in the refinement	1.333
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
180519 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/88.	7218831.cif
127562	2014-11-20	cif/ Adding structures of 7218830, 7218831, 7218832 via cif-deposit CGI script.	7218831.cif