Crystallography Open Database

Information card for entry 4338276

Preview

Coordinates	4338276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Cu2 N6 O7
Calculated formula	C28 H36 Cu2 N6 O7
Title of publication	Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.
Authors of publication	Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	10
Pages of publication	4794 - 4796
a	13.492 ± 0.002 Å
b	14.377 ± 0.002 Å
c	16.191 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3140.6 ± 0.9 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179485 (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 4/33/82.	4338276.cif
115705	2014-06-05	cif/ Updating files of 4338272, 4338273, 4338274, 4338275, 4338276, 4338277, 4338278, 4338279, 4338280, 4338281 Original log message: Adding full bibliography for 4338272--4338281.cif.	4338276.cif
112336	2014-05-01	cif/ Adding structures of 4338272, 4338273, 4338274, 4338275, 4338276, 4338277, 4338278, 4338279, 4338280, 4338281 via cif-deposit CGI script.	4338276.cif