Crystallography Open Database

Information card for entry 4106950

Preview

Coordinates	4106950.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MMPF-1
Formula	C36 H16 Cu3 N4 O10
Calculated formula	C36 H16 Cu3 N4 O10
Title of publication	Three-Dimensional Porous Metal-Metalloporphyrin Framework Consisting of Nanoscopic Polyhedral Cages
Authors of publication	Xi-Sen Wang; Le Meng; Qigan Cheng; Chungsik Kim; Lukasz Wojtas; Matthew Chrzanowski; Yu-Sheng Chen; X. Peter Zhang; Shengqian Ma
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	16322 - 16325
a	18.615 ± 0.007 Å
b	18.615 ± 0.007 Å
c	36.321 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	12586 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.1772
Residual factor for significantly intense reflections	0.096
Weighted residual factors for significantly intense reflections	0.2042
Weighted residual factors for all reflections included in the refinement	0.2186
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.40663 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178815 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/69.	4106950.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106950.cif
54480	2012-04-27	cif/ Adding structures of 4106950 via cif-deposit CGI script.	4106950.cif