Crystallography Open Database

Information card for entry 7215503

Preview

Coordinates	7215503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H38 Co N4 O11
Calculated formula	C39 H38 Co N4 O11
SMILES	[Co]12([n]3cccc4c3c3[n]1cccc3cc4)([n]1cccc3c1c1[n]2cccc1cc3)(OC(=O)c1c(OCc2ccc(C(=O)[O-])cc2)cccc1)[OH2].O.O.O.O.O
Title of publication	Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension
Authors of publication	Cao, Xinyu; Mu, Bao; Huang, Rudan
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	23
Pages of publication	5093
a	10.7055 ± 0.0007 Å
b	12.564 ± 0.0009 Å
c	15.7296 ± 0.001 Å
α	113.095 ± 0.002°
β	98.85 ± 0.001°
γ	102.229 ± 0.001°
Cell volume	1834.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1455
Weighted residual factors for all reflections included in the refinement	0.1686
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
180486 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/55.	7215503.cif
116188	2014-06-07	cif/ Updating files of 7215502, 7215503, 7215504, 7215505, 7215506, 7215507, 7215508, 7215509 Original log message: Adding full bibliography for 7215502--7215509.cif.	7215503.cif
112499	2014-05-02	cif/ Adding structures of 7215502, 7215503, 7215504, 7215505, 7215506, 7215507, 7215508, 7215509 via cif-deposit CGI script.	7215503.cif