Crystallography Open Database

Information card for entry 7216097

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Coordinates	7216097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H36 N10 O6 Sn
Calculated formula	C52 H36 N10 O6 Sn
Title of publication	Supramolecular self-assembly of tin(iv) porphyrin channels stabilizing single-file chains of water molecules
Authors of publication	Kim, Hee-Joon; Jo, Hwa Jin; Kim, Jaheon; Kim, Soo-Young; Kim, Dongwoo; Kim, Kimoon
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	68
Pages of publication	417
a	24.842 ± 0.002 Å
b	18.1089 ± 0.0017 Å
c	10.8129 ± 0.001 Å
α	90°
β	107.213 ± 0.001°
γ	90°
Cell volume	4646.4 ± 0.7 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1259
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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