Crystallography Open Database

Information card for entry 4512536

Preview

Coordinates	4512536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H20 Cu N6 O8
Calculated formula	C36 H20 Cu N6 O8
Title of publication	Histidine-Controlled Homochiral and Ferroelectric Metal‒Organic Frameworks
Authors of publication	Yu, Lei; Hua, Xiu-Ni; Jiang, Xi-Jie; Qin, Lan; Yan, Xiao-Zhi; Luo, Lai-Hui; Han, Lei
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	2
Pages of publication	687
a	12.411 ± 0.0011 Å
b	19.5709 ± 0.0017 Å
c	15.6611 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3804 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1341
Residual factor for significantly intense reflections	0.0919
Weighted residual factors for significantly intense reflections	0.2599
Weighted residual factors for all reflections included in the refinement	0.2763
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
179672 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/25.	4512536.cif
132757	2015-03-04	cif/ Updating files of 4512535, 4512536, 4512537 Original log message: Adding full bibliography for 4512535--4512537.cif.	4512536.cif
129722	2015-01-17	cif/ Adding structures of 4512536 via cif-deposit CGI script.	4512536.cif