Crystallography Open Database

Information card for entry 1501669

Preview

Coordinates	1501669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H69 Cl5 N4 O4 Sn
Calculated formula	C97 H69 Cl5 N4 O4 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	25.106 ± 0.007 Å
b	16.854 ± 0.004 Å
c	37.347 ± 0.009 Å
α	90°
β	92.653 ± 0.003°
γ	90°
Cell volume	15786 ± 7 Å³
Cell temperature	183 K
Ambient diffraction temperature	183 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.1819
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1501669.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501669.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501669.cif
35026	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501669 via cif-deposit CGI script.	1501669.cif