Crystallography Open Database

Information card for entry 4349636

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Coordinates	4349636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H18 N21 O24 Zn8
Calculated formula	C66 H18 N21 O24 Zn8
Title of publication	Encapsulation of an iridium complex in a metal‒organic framework to give a composite with efficient white light emission
Authors of publication	Xie, Wei; Qin, Jun-Sheng; He, Wen-Wen; Shao, Kui-Zhan; Su, Zhong-Min; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	3
Pages of publication	547
a	20.034 ± 0.005 Å
b	20.034 ± 0.005 Å
c	30.459 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	120 ± 0.005°
Cell volume	10587 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1871
Residual factor for significantly intense reflections	0.103
Weighted residual factors for significantly intense reflections	0.2483
Weighted residual factors for all reflections included in the refinement	0.2822
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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