Crystallography Open Database

Information card for entry 4348374

Preview

Coordinates	4348374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H62 Co3 N8 O14 S2
Calculated formula	C68 H62 Co3 N8 O14 S2
Title of publication	A 2-D coordination polymer incorporating cobalt(ii), 2-sulfoterephthalate and the flexible bridging ligand 1,3-di(4-pyridyl)propane
Authors of publication	Datta, Amitabha; Das, Kuheli; Massera, Chiara; Clegg, Jack K.; Pfrunder, Michael C.; Garribba, Eugenio; Huang, Jui-Hsien; Sinha, Chittaranjan; Maji, Tapas Kumar; Akitsu, Takashiro; Orita, Shingo
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	2
Pages of publication	157
a	10.6094 ± 0.0006 Å
b	11.9098 ± 0.0006 Å
c	14.7412 ± 0.0007 Å
α	81.495 ± 0.004°
β	83.114 ± 0.004°
γ	72.479 ± 0.005°
Cell volume	1751.07 ± 0.16 Å³
Cell temperature	331 ± 2 K
Ambient diffraction temperature	331 ± 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	0.0788
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
232893 (current)	2019-11-23	cif/ Adding structures of 4348373, 4348374 via cif-deposit CGI script.	4348374.cif