Crystallography Open Database

Information card for entry 7009310

Preview

Coordinates	7009310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H49.5 Cl2 Cu2 N8 O11.69
Calculated formula	C36 H48 Cl1.99933 Cu2 N8 O11.75
Title of publication	d10 Cations within triple-helical cryptand hosts; a structural and modelling study
Authors of publication	Drew, Michael G. B.; Farrell, David; Morgan, Grace G.; McKee, Vickie; Nelson, Jane
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	9
Pages of publication	1513
a	22.386 ± 0.004 Å
b	22.386 ± 0.004 Å
c	45.09 ± 0.02 Å
α	90°
β	90°
γ	120°
Cell volume	19569 ± 10 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1985
Residual factor for significantly intense reflections	0.0814
Weighted residual factors for significantly intense reflections	0.1756
Weighted residual factors for all reflections included in the refinement	0.2251
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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