Crystallography Open Database

Information card for entry 1516593

Preview

Coordinates	1516593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H62 Cl2 N8 Ni2 O6
Calculated formula	C50 H62 Cl2 N8 Ni2 O6
SMILES	CC1=[O][Ni]23456[Ni]789(O1)([O]5c1c(C=[N]3CCC[N]4=Cc3c([O]67)c(n4[n]9c5ccccc5n4)cc(c3)C(CC(C)(C)C)(C)C)cc(cc1n1[n]8c3ccccc3n1)C(CC(C)(C)C)(C)C)[O]=C(O2)C.ClCCl
Title of publication	Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide
Authors of publication	Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her
Journal of publication	Polymer Chemistry
Year of publication	2014
Journal volume	5
Journal issue	17
Pages of publication	4875
a	12.0189 ± 0.0003 Å
b	14.7702 ± 0.0004 Å
c	14.7768 ± 0.0004 Å
α	107.972 ± 0.002°
β	96.642 ± 0.002°
γ	95.331 ± 0.002°
Cell volume	2455.4 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516593.cif
121778	2014-08-08	cif/ Updating files of 1516591, 1516592, 1516593, 1516594 Original log message: Adding full bibliography for 1516591--1516594.cif.	1516593.cif
116364	2014-06-10	cif/ Adding structures of 1516593 via cif-deposit CGI script.	1516593.cif