Crystallography Open Database

Information card for entry 7224564

Preview

Coordinates	7224564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H22 Co N6 O14
Calculated formula	C40 H22 Co N6 O14
SMILES	[Co]123(OC(=O)c4c(c5c(cc(cc5N(=O)=O)C(=O)O)C(=O)O1)c(cc(c4)C(=O)O)N(=O)=O)([n]1c4c5[n]2cccc5ccc4ccc1)[n]1c2c4[n]3cccc4ccc2ccc1.O.O
Title of publication	Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties
Authors of publication	Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	19
Pages of publication	3358
a	10.059 ± 0.002 Å
b	11.605 ± 0.003 Å
c	16.86 ± 0.004 Å
α	77.458 ± 0.004°
β	79.847 ± 0.004°
γ	79.381 ± 0.004°
Cell volume	1869.1 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1228
Residual factor for significantly intense reflections	0.0786
Weighted residual factors for significantly intense reflections	0.2095
Weighted residual factors for all reflections included in the refinement	0.3123
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
185297 (current)	2016-08-07	cif/ Updating files of 7224556, 7224557, 7224558, 7224559, 7224560, 7224561, 7224562, 7224563, 7224564, 7224565 Original log message: Adding full bibliography for 7224556--7224565.cif.	7224564.cif
178065	2016-03-10	cif/ Adding structures of 7224556, 7224557, 7224558, 7224559, 7224560, 7224561, 7224562, 7224563, 7224564, 7224565 via cif-deposit CGI script.	7224564.cif