Crystallography Open Database

Information card for entry 4512535

Preview

Coordinates	4512535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 N6 O8 Zn
Calculated formula	C36 H24 N6 O8 Zn
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	7.9371 ± 0.0016 Å
b	15.359 ± 0.003 Å
c	14.644 ± 0.003 Å
α	90°
β	103.76 ± 0.03°
γ	90°
Cell volume	1734 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0995
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1971
Goodness-of-fit parameter for all reflections included in the refinement	1.153
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.	4512535.cif
132757	2015-03-04	cif/ Updating files of 4512535, 4512536, 4512537 Original log message: Adding full bibliography for 4512535--4512537.cif.	4512535.cif
129721	2015-01-17	cif/ Adding structures of 4512535 via cif-deposit CGI script.	4512535.cif