Crystallography Open Database

Information card for entry 1501670

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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

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