Crystallography Open Database

Information card for entry 7214243

Preview

Coordinates	7214243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79.9 H68.97 Au2 Cl3.8 N2 O8.59 P4
Calculated formula	C79.9 H68.974 Au2 Cl3.8 N2 O8.587 P4
Title of publication	A stimuli-responsive double-stranded digold(i) helicate
Authors of publication	Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	15
Pages of publication	3192
a	11.7728 ± 0.0001 Å
b	33.8466 ± 0.0003 Å
c	18.4668 ± 0.0002 Å
α	90°
β	96.231 ± 0.001°
γ	90°
Cell volume	7314.98 ± 0.12 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
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	0.0433
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.0971
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7214243.cif
108272	2014-03-30	cif/ Adding structures of 7214241, 7214242, 7214243, 7214244 via cif-deposit CGI script.	7214243.cif