Crystallography Open Database

Information card for entry 4316518

Preview

Coordinates	4316518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H46 N4
Calculated formula	C128 H46 N4
Title of publication	Porphyrin-Fullerene, C60, Cocrystallates: Influence of C60 on the Porphyrin Ring Conformation
Authors of publication	P. Bhyrappa; K. Karunanithi
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	8389 - 8400
a	28.3412 ± 0.0013 Å
b	12.3443 ± 0.0005 Å
c	22.1155 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	7737.2 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	4316518.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316518.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316518.cif
9721	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316518 via cif-deposit CGI script.	4316518.cif