Crystallography Open Database

Information card for entry 2203577

2203576 << 2203577 >> 2203578

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Structure parameters

Chemical name	Dimethyl sulfoxide/chloroform clathrate of (dimethyl sulfoxide)(tetraphenylporphyrinato)zinc(II)
Formula	C47.79 H38.95 Cl0.63 N4 O1.79 S1.79 Zn
Calculated formula	C47.79 H38.95 Cl0.63 N4 O1.79 S1.79 Zn
Title of publication	A dimethyl sulfoxide/chloroform clathrate of (dimethyl sulfoxide)(tetraphenylporphyrinato)zinc(II)
Authors of publication	Vinodu, Mikki; Goldberg, Israel
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	5
Pages of publication	m579 - m581
a	10.9118 ± 0.0003 Å
b	11.0998 ± 0.0002 Å
c	17.4255 ± 0.0004 Å
α	87.9607 ± 0.0009°
β	81.5984 ± 0.0009°
γ	75.2901 ± 0.001°
Cell volume	2019.47 ± 0.08 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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