Crystallography Open Database

Information card for entry 7036476

Preview

Coordinates	7036476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Co N4 O6 S2
Calculated formula	C40 H42 Co N4 O6 S2
Title of publication	A series of phenyl sulfonate metal coordination polymers as catalysts for one-pot Biginelli reactions under solvent-free conditions.
Authors of publication	Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Wang, Jun-Jie; Ng, Seik Weng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	40
Pages of publication	17829 - 17840
a	23.5795 ± 0.0004 Å
b	16.9585 ± 0.0003 Å
c	9.1362 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3653.32 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1016
Residual factor for significantly intense reflections	0.0943
Weighted residual factors for significantly intense reflections	0.2348
Weighted residual factors for all reflections included in the refinement	0.2463
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
161890 (current)	2015-10-09	cif/ Updating files of 7036474, 7036475, 7036476 Original log message: Adding full bibliography for 7036474--7036476.cif.	7036476.cif
155862	2015-09-11	cif/ Adding structures of 7036474, 7036475, 7036476 via cif-deposit CGI script.	7036476.cif