Crystallography Open Database

Information card for entry 4504784

Preview

Coordinates	4504784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H38 Mn N4 O14 P
Calculated formula	C50 H36 Mn N4 O14 P
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	18.6724 ± 0.0006 Å
b	18.6724 ± 0.0006 Å
c	16.8341 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5869.4 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0912
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1676
Weighted residual factors for all reflections included in the refinement	0.1802
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
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.	4504784.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504784.cif
47529	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504784 via cif-deposit CGI script.	4504784.cif