Crystallography Open Database

Information card for entry 1562640

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Coordinates	1562640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H60 Cd4.5 N7 O30
Calculated formula	C64 H60 Cd4.5 N7 O30
Title of publication	Structural variations and photoluminescent properties of a series of metal-organic frameworks constructed from 5-(4-carboxybenzoylamino)-isophthalic acid
Authors of publication	Zhao, Wen; Zhang, Li-Juan; Zhao, Xiao-Li
Journal of publication	Journal of Solid State Chemistry
Year of publication	2013
Journal volume	202
Pages of publication	250 - 256
a	15.3042 ± 0.0007 Å
b	15.5719 ± 0.0007 Å
c	16.3522 ± 0.0008 Å
α	104.723 ± 0.001°
β	105.151 ± 0.001°
γ	101.628 ± 0.001°
Cell volume	3484.9 ± 0.3 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	0.0366
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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