Crystallography Open Database

Information card for entry 4509519

Preview

Coordinates	4509519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H38 N8 O13 Zn3
Calculated formula	C72 H38 N8 O13 Zn3
Title of publication	Structural Variation in Porphyrin Pillared Homologous Series: Influence of Distinct Coordination Centers for Pillars on Framework Topology
Authors of publication	Chung, Haemi; Barron, Paul M.; Novotny, Richard W.; Son, Hyun-Tak; Hu, Chunhua; Choe, Wonyoung
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	7
Pages of publication	3327
a	22.2897 ± 0.0009 Å
b	16.8927 ± 0.0007 Å
c	16.4976 ± 0.0007 Å
α	90°
β	104.079 ± 0.002°
γ	90°
Cell volume	6025.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.1543
Goodness-of-fit parameter for all reflections included in the refinement	1.145
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
179631 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/95.	4509519.cif
97327	2014-01-29	cif/ Adding structures of 4509519 via cif-deposit CGI script.	4509519.cif