Crystallography Open Database

Information card for entry 1515257

Preview

Coordinates	1515257.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MMPF-5
Formula	C156 H60 Cd11 N12 O51
Calculated formula	C156 H60 Cd11 N12 O51
Title of publication	Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin
Authors of publication	Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	9
Pages of publication	2823
a	22.521 ± 0.015 Å
b	22.521 ± 0.015 Å
c	22.521 ± 0.015 Å
α	90°
β	90°
γ	90°
Cell volume	11423 ± 13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.1067
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for significantly intense reflections	0.2268
Weighted residual factors for all reflections included in the refinement	0.2483
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515257.cif
110916	2014-04-20	cif/ Adding structures of 1515256, 1515257 via cif-deposit CGI script.	1515257.cif