Crystallography Open Database

Information card for entry 7057235

Preview

Coordinates	7057235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H41 N5 O
Calculated formula	C44 H41 N5 O
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	23.5417 ± 0.0012 Å
b	16.612 ± 0.0008 Å
c	9.1741 ± 0.0005 Å
α	90°
β	100.111 ± 0.002°
γ	90°
Cell volume	3532 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1542
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.2005
Weighted residual factors for all reflections included in the refinement	0.243
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	7057235.cif
207206	2018-04-03	cif/ Adding structures of 7057234, 7057235, 7057236, 7057237, 7057238 via cif-deposit CGI script.	7057235.cif