Crystallography Open Database

Information card for entry 4349800

Preview

Coordinates	4349800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Cd N2 O20
Calculated formula	C30 H30 Cd N2 O20
SMILES	[Cd](OC1=C(O)C(=O)C1=O)(OC1=C(O)C(=O)C1=O)([OH2])([OH2])([OH2])[OH2].[n+]1(ccc(cc1)c1cc[n+](cc1)CC)CC.O=C1C(=O)C(O)=C1[O-].O=C1C(=O)C(O)=C1[O-]
Title of publication	Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens
Authors of publication	Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	1
Pages of publication	189
a	6.3956 ± 0.0006 Å
b	19.0514 ± 0.0018 Å
c	27.414 ± 0.002 Å
α	90°
β	100.31 ± 0.002°
γ	90°
Cell volume	3286.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.172
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
235843 (current)	2019-11-24	cif/ Adding structures of 4349796, 4349797, 4349798, 4349799, 4349800, 4349801 via cif-deposit CGI script.	4349800.cif