Crystallography Open Database

Information card for entry 4301221

Preview

Coordinates	4301221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H36 N7 O8 Zn3
Calculated formula	C63 H36 N7 O8 Zn3
Title of publication	Pillared Porphyrin Homologous Series: Intergrowth in Metal-Organic Frameworks
Authors of publication	Eun-Young Choi; Paul M. Barron; Richard W. Novotny; Hyun-Tak Son; Chunhua Hu; Wonyoung Choe
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	426 - 428
a	16.7122 ± 0.0002 Å
b	16.7122 ± 0.0002 Å
c	54.2436 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	15150.1 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4301221.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301221.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301221.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301221.cif