Crystallography Open Database

Information card for entry 7705261

Preview

Coordinates	7705261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 N8 O4 Zn
Calculated formula	C44 H32 N8 O4 Zn
Title of publication	Similarities and differences between Mn(II) and Zn(II) coordination polymers supported by porphyrin-based ligands: synthesis, structures and nonlinear optical properties.
Authors of publication	Xu, Bo-Wei; Niu, Ru-Jie; Liu, Quan; Yang, Jun-Yi; Zhang, Wen-Hua; Young, David J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	36
Pages of publication	12622 - 12631
a	9.8328 ± 0.0013 Å
b	9.1345 ± 0.0012 Å
c	20.405 ± 0.003 Å
α	90°
β	103.554 ± 0.005°
γ	90°
Cell volume	1781.7 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.1065
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1694
Weighted residual factors for all reflections included in the refinement	0.2069
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
257543 (current)	2020-10-06	cif/ Updating files of 7705260, 7705261, 7705262, 7705263 Original log message: Adding full bibliography for 7705260--7705263.cif.	7705261.cif
255617	2020-08-25	cif/ Adding structures of 7705260, 7705261, 7705262, 7705263 via cif-deposit CGI script.	7705261.cif