Crystallography Open Database

Information card for entry 4506824

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Coordinates	4506824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H36 N6 O12 Pb3
Calculated formula	C45 H36 N6 O12 Pb3
Title of publication	Temperature, Cooling Rate, and Additive-Controlled Supramolecular Isomerism in Four Pb(II) Coordination Polymers with an in Situ Ligand Transformation Reaction
Authors of publication	Deng, Dongsheng; Liu, Leilei; Ji, Bao-Ming; Yin, Guojie; Du, Chenxia
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5338
a	22.976 ± 0.013 Å
b	19.587 ± 0.011 Å
c	10.776 ± 0.006 Å
α	90°
β	101.912 ± 0.007°
γ	90°
Cell volume	4745 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1243
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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