Crystallography Open Database

Information card for entry 7009880

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Coordinates	7009880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H74 N8 Zn1.5
Calculated formula	C76 H50 N8 Zn1.5
Title of publication	Multicomponent Zn-tetraphenylporphyrins: syntheses, characterization and their self assembly in the solid state
Authors of publication	Shukla, Atindra D.; Dave, Paresh C.; Suresh, Eringathodi; Das, Amitava; Dastidar, Parthasarathi
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	23
Pages of publication	4459
a	11.065 ± 0.009 Å
b	13.425 ± 0.005 Å
c	28.068 ± 0.011 Å
α	96.6 ± 0.03°
β	92.23 ± 0.05°
γ	102.99 ± 0.05°
Cell volume	4027 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1734
Residual factor for significantly intense reflections	0.1052
Weighted residual factors for significantly intense reflections	0.2785
Weighted residual factors for all reflections included in the refinement	0.3166
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MoK/a
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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