Crystallography Open Database

Information card for entry 4335251

Preview

Coordinates	4335251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H23 Cu N2 Na O8
Calculated formula	C30 H23 Cu N2 Na O8
Title of publication	Chiral Induction in the Ionothermal Synthesis of a 3D Chiral Heterometallic Metal-Organic Framework Constructed from Achiral 1,4-Naphthalenedicarboxylate
Authors of publication	Qing-Yan Liu; Wei-Lu Xiong; Cai-Ming Liu; Yu-Ling Wang; Jia-Jia Wei; Zuo-Juan Xiahou; Li-Hua Xiong
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6773 - 6775
a	10.6642 ± 0.001 Å
b	10.6642 ± 0.001 Å
c	23.998 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2729.2 ± 0.7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179455 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/52.	4335251.cif
101160	2014-02-10	cif/ Adding structures of 4335251 via cif-deposit CGI script.	4335251.cif