Crystallography Open Database

Information card for entry 7112254

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Coordinates	7112254.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PGC4GaCd
Formula	C270 H452 Cd3 Ga17 N4 O152
Calculated formula	C268 H264 Cd3 Ga17 N4 O151.8
Title of publication	Structural alteration of the metal-organic pyrogallol[4]arene nano-capsule motif by incorporation of large metal centres
Authors of publication	Ping Jin; Harshita Kumari; Stuart Kennedy; Charles L. Barnes; Simon J. Teat; Scott J. Dalgarno; Jerry L. Atwood
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	4508
a	32.6322 ± 0.0013 Å
b	27.6208 ± 0.0011 Å
c	44.2453 ± 0.0017 Å
α	90°
β	97.087 ± 0.002°
γ	90°
Cell volume	39575 ± 3 Å³
Cell temperature	100 ± 2 K
Number of distinct elements	6
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	0.1528
Residual factor for significantly intense reflections	0.1095
Weighted residual factors for significantly intense reflections	0.3085
Weighted residual factors for all reflections included in the refinement	0.3413
Goodness-of-fit parameter for all reflections included in the refinement	1.31
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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