Crystallography Open Database

Information card for entry 4502123

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Coordinates	4502123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Cu N6 O12
Calculated formula	C36 H36 Cu N6 O9
Title of publication	Is a Crystal Engineering Approach Useful in Designing Metallogels? A Case Study
Authors of publication	Adarsh, N. N.; Sahoo, Pathik; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	11
Pages of publication	4976
a	12.1211 ± 0.0005 Å
b	13.0168 ± 0.0005 Å
c	14.4926 ± 0.0005 Å
α	108.003 ± 0.001°
β	98.586 ± 0.001°
γ	106.562 ± 0.001°
Cell volume	2012.52 ± 0.14 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	0.0502
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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