Crystallography Open Database

Information card for entry 4504783

Preview

Coordinates	4504783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H35 Cl8 Mn N4 O10
Calculated formula	C52 H35 Cl8 Mn N4 O10
Title of publication	Self-Assembly of Supramolecular Porphyrin Arrays by Hydrogen Bonding: New Structures and Reflections
Authors of publication	George, Sumod; Goldberg, Israel
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	3
Pages of publication	755
a	9.4265 ± 0.0001 Å
b	15.2987 ± 0.0003 Å
c	20.0481 ± 0.0004 Å
α	100.103 ± 0.001°
β	97.252 ± 0.0011°
γ	107.294 ± 0.0011°
Cell volume	2668.31 ± 0.08 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1393
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179582 (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 4/50/47.	4504783.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504783.cif
47528	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504783 via cif-deposit CGI script.	4504783.cif