Crystallography Open Database

Information card for entry 7212603

Preview

Coordinates	7212603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 N4 O8 Rh2
Calculated formula	C36 H30 N4 O8 Rh2
Title of publication	Acetonitrile vapour inclusion in single-crystal adsorbents [MII2(bza)4(pyz)]n (MII = Rh, Cu)
Authors of publication	Takamizawa, Satoshi; Miyake, Ryosuke
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	10
Pages of publication	2728
a	9.54 ± 0.003 Å
b	10.457 ± 0.004 Å
c	10.605 ± 0.004 Å
α	73.863 ± 0.007°
β	63.928 ± 0.007°
γ	64.003 ± 0.006°
Cell volume	849.4 ± 0.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0826
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1775
Weighted residual factors for all reflections included in the refinement	0.1965
Goodness-of-fit parameter for all reflections included in the refinement	1.185
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
180457 (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 7/21/26.	7212603.cif
93162	2014-01-12	cif/ Adding structures of 7212603 via cif-deposit CGI script.	7212603.cif