Crystallography Open Database

Information card for entry 7057237

Preview

Coordinates	7057237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H54 N10 O2 Zn2
Calculated formula	C76 H54 N10 O2 Zn2
Title of publication	Symmetrical and dissymmetrical 2,2′-bis-dipyrrin ligands and Zn(ii) binuclear helicates
Authors of publication	Zhang, Fan; Baudron, Stéphane A.; Hosseini, Mir Wais
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	9
Pages of publication	6997
a	21.6164 ± 0.0017 Å
b	9.6459 ± 0.0005 Å
c	33.206 ± 0.003 Å
α	90°
β	93.087 ± 0.001°
γ	90°
Cell volume	6913.7 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1796
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.177
Weighted residual factors for all reflections included in the refinement	0.217
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
230450 (current)	2019-11-17	cif/ Updating files of 7057234, 7057235, 7057236, 7057237, 7057238 Original log message: Adding full bibliography for 7057234--7057238.cif.	7057237.cif
207206	2018-04-03	cif/ Adding structures of 7057234, 7057235, 7057236, 7057237, 7057238 via cif-deposit CGI script.	7057237.cif