Crystallography Open Database

Information card for entry 4119913

4119912 << 4119913 >> 4119914

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Coordinates	4119913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C250 H312 Cd18 Cl10 Er6 N18 O88
Calculated formula	C250 H312 Cd18 Cl10 Er6 N18 O88
Title of publication	Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures
Authors of publication	Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	8468 - 8471
a	42.031 ± 0.008 Å
b	22.983 ± 0.005 Å
c	47.422 ± 0.01 Å
α	90°
β	113.66 ± 0.03°
γ	90°
Cell volume	41959 ± 18 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1382
Residual factor for significantly intense reflections	0.0805
Weighted residual factors for significantly intense reflections	0.1843
Weighted residual factors for all reflections included in the refinement	0.2101
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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