Crystallography Open Database

Information card for entry 7711740

Preview

Coordinates	7711740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C203 H131.53 Cl6 Co4 N20 O16.76 Se16
Calculated formula	C203 H131.528 Cl6 Co4 N20 O16.764 Se16
Title of publication	Synthesis of cobalt(II) phenolate selenoether complexes to mimic hydrogenase-like activity for hydrogen gas production.
Authors of publication	Upadhyay, Aditya; Kanika, ?; Mandhar, Yogesh; Batabyal, Monojit; Raju, Saravanan; Jaiswal, Svastik; Butcher, Ray J.; Kumar, Sangit
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	52
Journal issue	1
Pages of publication	159 - 174
a	12.9661 ± 0.0013 Å
b	17.2755 ± 0.0018 Å
c	21.367 ± 0.002 Å
α	93.261 ± 0.004°
β	94.806 ± 0.004°
γ	90.356 ± 0.004°
Cell volume	4761.3 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
283225 (current)	2023-05-05	cif/ Updating files of 7711737, 7711738, 7711739, 7711740 Original log message: Adding full bibliography for 7711737--7711740.cif.	7711740.cif
279167	2022-11-10	cif/ Adding structures of 7711737, 7711738, 7711739, 7711740 via cif-deposit CGI script.	7711740.cif