Crystallography Open Database

Information card for entry 7208476

7208475 << 7208476 >> 7208477

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Coordinates	7208476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H42 Cd2 N6 O14
Calculated formula	C52 H34 Cd2 N6 O14
Title of publication	A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties
Authors of publication	Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	18
Pages of publication	6004
a	5.543 ± 0.0003 Å
b	14.59 ± 0.0007 Å
c	14.935 ± 0.0007 Å
α	100.202 ± 0.004°
β	94.958 ± 0.004°
γ	98.558 ± 0.004°
Cell volume	1167.58 ± 0.1 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	0.0375
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7208476.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208476.cif
66466	2012-09-11	cif/ Adding structures of 7208472, 7208473, 7208474, 7208475, 7208476, 7208477, 7208478 via cif-deposit CGI script.	7208476.cif