Crystallography Open Database

Information card for entry 4341967

4341966 << 4341967 >> 4341968

Preview

Coordinates	4341967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H56 Cl3 Mn6.5 N40 O4
Calculated formula	C96 H48 Cl3 Mn6.5 N40 O4
Title of publication	A three-dimensional microporous metal-metalloporphyrin framework.
Authors of publication	Guo, Zhiyong; Yan, Dan; Wang, Hailong; Tesfagaber, Daniel; Li, Xinle; Chen, Yusheng; Huang, Wenyu; Chen, Banglin
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	1
Pages of publication	200 - 204
a	20.3157 ± 0.0006 Å
b	20.3157 ± 0.0006 Å
c	19.918 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	8220.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	123
Hermann-Mauguin space group symbol	P 4/m m m
Hall space group symbol	-P 4 2
Residual factor for all reflections	0.1023
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.2231
Weighted residual factors for all reflections included in the refinement	0.2423
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotronradiation
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341967.cif
130597	2015-02-04	cif/ Updating files of 4341967 Original log message: Adding full bibliography for 4341967.cif.	4341967.cif
128914	2014-12-21	cif/ Adding structures of 4341967 via cif-deposit CGI script.	4341967.cif