Crystallography Open Database

Information card for entry 4329573

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Structure parameters

Formula	C67 H58 B2 Cl2 F8 N6 Rh2
Calculated formula	C67 H58 B2 Cl2 F8 N6 Rh2
Title of publication	Syntheses, Structures, and Luminescent Properties of Dipyridylamine-Functionalized Anthracene and Its Complexes
Authors of publication	Runyu Tan; Zhi-Bin Wang; Yu Li; Daniel J. Kozera; Zheng-Hong Lu; Datong Song
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7039 - 7049
a	10.3248 ± 0.0005 Å
b	18.3669 ± 0.0009 Å
c	19.8936 ± 0.0011 Å
α	109.469 ± 0.002°
β	100.819 ± 0.002°
γ	102.057 ± 0.002°
Cell volume	3340.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4329573.cif
179398	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/95.	4329573.cif
78630	2013-04-02	cif/ Adding structures of 4329573 via cif-deposit CGI script.	4329573.cif