Crystallography Open Database

Information card for entry 1501670

Preview

Coordinates	1501670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H80 N4 O8 Sn
Calculated formula	C100 H74 N4 O8 Sn
Title of publication	Formation of a hybrid compound composed of a saddle-distorted Tin(IV)-porphyrin and a Keggin-type heteropolyoxometalate to undergo intramolecular photoinduced electron transfer.
Authors of publication	Yokoyama, Atsutoshi; Kojima, Takahiko; Ohkubo, Kei; Shiro, Motoo; Fukuzumi, Shunichi
Journal of publication	The journal of physical chemistry. A
Year of publication	2011
Journal volume	115
Journal issue	6
Pages of publication	986 - 997
a	11.4345 ± 0.0005 Å
b	12.6971 ± 0.0007 Å
c	14.1793 ± 0.0008 Å
α	103.943 ± 0.0019°
β	101.911 ± 0.0019°
γ	93.6347 ± 0.0018°
Cell volume	1941.03 ± 0.18 Å³
Cell temperature	181.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1501670.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501670.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501670.cif
35027	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501670 via cif-deposit CGI script.	1501670.cif