Crystallography Open Database

Information card for entry 1543579

Preview

Coordinates	1543579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 Cu2 I3 N2
Calculated formula	C9 H12 Cu2 I3 N2
Title of publication	The subtle effect of methyl substituent in C2-symmetric template on the formation of halocluster hybrids
Authors of publication	Li Li; Hong Chen; Yong-Zhen Qiao; Yun-Yin Niu
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	227 - 232
a	6.611 ± 0.006 Å
b	16.669 ± 0.015 Å
c	13.969 ± 0.011 Å
α	90°
β	103.69 ± 0.03°
γ	90°
Cell volume	1496 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0489
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1543579.html