Crystallography Open Database

Information card for entry 4338891

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Coordinates	4338891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C158 H122 N21 O6 Zn3
Calculated formula	C158 H122 N21 O6 Zn3
Title of publication	Metalloporphyrin-based inclusion materials: exploiting ligating topologies and hydrogen-bonding backbones in generating new supramolecular architectures.
Authors of publication	Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	18
Pages of publication	7351 - 7361
a	13.3651 ± 0.0008 Å
b	17.5105 ± 0.001 Å
c	28.9961 ± 0.0017 Å
α	92.68 ± 0.001°
β	91.197 ± 0.001°
γ	93.493 ± 0.001°
Cell volume	6764 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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 all reflections	0.0939
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1604
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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