Crystallography Open Database

Information card for entry 7207450

7207449 << 7207450 >> 7207451

Preview

Coordinates	7207450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 Cu2 I2 N3 S
Calculated formula	C15 H16 Cu2 I2 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	9.889 ± 0.002 Å
b	10.169 ± 0.002 Å
c	10.898 ± 0.002 Å
α	91.87 ± 0.03°
β	95.71 ± 0.03°
γ	116.91 ± 0.03°
Cell volume	968.7 ± 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	0.0468
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7207450.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207450.cif
37645	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7207445, 7207446, 7207447, 7207448, 7207449, 7207450 via cif-deposit CGI script.	7207450.cif