Crystallography Open Database

Information card for entry 4348373

Preview

Coordinates	4348373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H66 Co3 N8 O16 S2
Calculated formula	C68 H62 Co3 N8 O16 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	10.616 ± 0.005 Å
b	11.949 ± 0.004 Å
c	14.908 ± 0.006 Å
α	80.973 ± 0.006°
β	83.402 ± 0.006°
γ	73.213 ± 0.005°
Cell volume	1783.2 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0701
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4348373.cif