Crystallography Open Database

Information card for entry 7207448

7207447 << 7207448 >> 7207449

Preview

Coordinates	7207448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Cu I N3 S
Calculated formula	C14 H14 Cu I N3 S
Title of publication	Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands
Authors of publication	Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	5
Pages of publication	1641
a	7.7834 ± 0.0016 Å
b	9.768 ± 0.002 Å
c	11.779 ± 0.002 Å
α	110.16 ± 0.03°
β	91.73 ± 0.03°
γ	109.35 ± 0.03°
Cell volume	782.6 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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/7207448.html