Crystallography Open Database

Information card for entry 4124529

Preview

Coordinates	4124529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H11 N3 O6 Zn
Calculated formula	C18 H11 N3 O6 Zn
Title of publication	Control of Molecular Rotor Rotational Frequencies in Porous Coordination Polymers Using a Solid-Solution Approach.
Authors of publication	Inukai, Munehiro; Fukushima, Tomohiro; Hijikata, Yuh; Ogiwara, Naoki; Horike, Satoshi; Kitagawa, Susumu
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	38
Pages of publication	12183 - 12186
a	10.142 ± 0.002 Å
b	10.2709 ± 0.0018 Å
c	10.7349 ± 0.0019 Å
α	65.643 ± 0.01°
β	77.088 ± 0.01°
γ	80.17 ± 0.012°
Cell volume	989 ± 0.3 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	0.166
Residual factor for significantly intense reflections	0.0988
Weighted residual factors for significantly intense reflections	0.2699
Weighted residual factors for all reflections included in the refinement	0.3141
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4124529.cif
160527	2015-10-06	cif/ Updating files of 4124529, 4124530 Original log message: Adding full bibliography for 4124529--4124530.cif.	4124529.cif
158228	2015-09-23	cif/ Adding structures of 4124529 via cif-deposit CGI script.	4124529.cif