Crystallography Open Database

Information card for entry 1551636

Preview

Coordinates	1551636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H48 Cu2 N2 O8
Calculated formula	C32 H48 Cu2 N2 O8
SMILES	[Cu]1234([O]=C(C(C)(C)C)O[Cu]4([O]=C(O1)C(C)(C)C)(OC(=[O]3)C(C)(C)C)[O]=C(O2)C(C)(C)C)[n]1ccc(cc1)CCc1cc[n]([Cu]2345[O]=C(C(C)(C)C)O[Cu]5([O]=C(O2)C(C)(C)C)(OC(=[O]4)C(C)(C)C)([O]=C(O3)C(C)(C)C)[n]2ccc(cc2)CCc2ccncc2)cc1
Title of publication	Synthesis and Crystal Structure of a Chain Complex of Copper(II) Pivalate and 1,2-Bis(4-pyridyl)ethane in Relation to Adsorption Property for N<sub>2</sub>
Authors of publication	MIKURIYA, Masahiro; YANO, Mari; TAKAHASHI, Naoya; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto
Journal of publication	X-ray Structure Analysis Online
Year of publication	2015
Journal volume	31
Journal issue	0
Pages of publication	47
a	21.267 ± 0.003 Å
b	18.25 ± 0.002 Å
c	10.1715 ± 0.0013 Å
α	90°
β	99.716 ± 0.003°
γ	90°
Cell volume	3891.2 ± 0.9 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	0.103
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	0.828
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
216247 (current)	2019-06-20	cif/ Adding structures of 1551636 via cif-deposit CGI script.	1551636.cif