Crystallography Open Database

Information card for entry 7700505

Preview

Coordinates	7700505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H54 Co2 F6 N8 O6
Calculated formula	C49 H54 Co2 F6 N8 O6
Title of publication	Synthesis and characterization of di-nuclear bis(benzotriazole iminophenolate) cobalt complexes: catalysis for the copolymerization of carbon dioxide with epoxides.
Authors of publication	Su, Yu-Chia; Tsai, Chen-Yen; Huang, Li-Shin; Lin, Chia-Her; Ko, Bao-Tsan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	32
Pages of publication	12239 - 12249
a	11.9469 ± 0.0009 Å
b	15.2398 ± 0.0011 Å
c	15.5352 ± 0.0012 Å
α	111.573 ± 0.002°
β	97.145 ± 0.003°
γ	95.552 ± 0.003°
Cell volume	2578.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.13
Residual factor for significantly intense reflections	0.0834
Weighted residual factors for significantly intense reflections	0.1959
Weighted residual factors for all reflections included in the refinement	0.24
Goodness-of-fit parameter for all reflections included in the refinement	0.973
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
223926 (current)	2019-11-07	cif/ Updating files of 7700505, 7700506, 7700507, 7700508, 7700509, 7700510 Original log message: Adding full bibliography for 7700505--7700510.cif.	7700505.cif
216967	2019-07-12	cif/ Adding structures of 7700505, 7700506, 7700507, 7700508, 7700509, 7700510 via cif-deposit CGI script.	7700505.cif