Crystallography Open Database

Information card for entry 7212575

Preview

Coordinates	7212575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Ag N7 O3
Calculated formula	C12 H14 Ag N7 O3
Title of publication	Flexible “piperazine‒pyrazine” building blocks: conformational isomerism of “equatorial‒axial” sites toward the constructions of silver(i) coordination chains
Authors of publication	Hsu, Shu-Chun; Wu, Jing-Yun; Lee, Chin-Fen; Lee, Chung-Chou; Lai, Long-Li; Lu, Kuang-Lieh
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	11
Pages of publication	3388
a	12.595 ± 0.003 Å
b	10.732 ± 0.002 Å
c	10.892 ± 0.002 Å
α	90°
β	108.52 ± 0.03°
γ	90°
Cell volume	1396 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0195
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0462
Weighted residual factors for all reflections included in the refinement	0.0465
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
180456 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/25.	7212575.cif
93108	2014-01-12	cif/ Adding structures of 7212572, 7212573, 7212574, 7212575 via cif-deposit CGI script.	7212575.cif