Crystallography Open Database

Information card for entry 7205737

7205736 << 7205737 >> 7205738

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Coordinates	7205737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H84 N18 O38 Zn5
Calculated formula	C96 H84 N18 O38 Zn5
Title of publication	Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands
Authors of publication	Pochodylo, Amy L.; LaDuca, Robert L.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	7
Pages of publication	2249
a	9.4905 ± 0.0005 Å
b	12.112 ± 0.0006 Å
c	23.4975 ± 0.0012 Å
α	93.066 ± 0.001°
β	90.284 ± 0.001°
γ	110.117 ± 0.001°
Cell volume	2531.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0389
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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