Crystallography Open Database

Information card for entry 4073898

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Structure parameters

Formula	C34.5 H25 Au Cl P
Calculated formula	C34.5 H25 Au Cl P
Title of publication	Attaching Gold and Platinum to the Rim of Pyrene: A Synthetic and Spectroscopic Study
Authors of publication	Heng, Wendy Yuqing; Hu, Jian; Yip, John H. K.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	27
Pages of publication	6760
a	12.03 ± 0.002 Å
b	15.178 ± 0.003 Å
c	15.529 ± 0.003 Å
α	90°
β	103.977 ± 0.004°
γ	90°
Cell volume	2751.5 ± 0.9 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4073898.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4073898.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073898.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073898.cif
46615	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073898 via cif-deposit CGI script.	4073898.cif