Crystallography Open Database

Information card for entry 7705260

Preview

Coordinates	7705260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 Mn N8
Calculated formula	C44 H32 Mn N8
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	31.541 ± 0.002 Å
b	9.6191 ± 0.0008 Å
c	14.6584 ± 0.001 Å
α	90°
β	95.861 ± 0.002°
γ	90°
Cell volume	4424.1 ± 0.6 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1672
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.1559
Weighted residual factors for all reflections included in the refinement	0.1896
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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.	7705260.cif
255617	2020-08-25	cif/ Adding structures of 7705260, 7705261, 7705262, 7705263 via cif-deposit CGI script.	7705260.cif