Crystallography Open Database

Information card for entry 4502669

Preview

Coordinates	4502669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H43 Cl6 N12 O14 Sm
Calculated formula	C58 H43 Cl6 N12 O14 Sm
Title of publication	Porphyrin Framework Solids. Hybrid Supramolecular Assembly Modes of Tetrapyridylporphyrin and Aqua Nitrates of Lanthanoid Ions
Authors of publication	Lipstman, Sophia; Goldberg, Israel
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	4
Pages of publication	1823
a	16.3656 ± 0.0002 Å
b	27.4265 ± 0.0003 Å
c	30.3946 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	13642.7 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0826
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
179557 (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 4/50/26.	4502669.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502669.cif
36506	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502661, 4502662, 4502663, 4502664, 4502665, 4502666, 4502667, 4502668, 4502669, 4502670 via cif-deposit CGI script.	4502669.cif