Crystallography Open Database

Information card for entry 1504362

Preview

Coordinates	1504362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H46 Cu N20 O6
Calculated formula	C38 H24 Cu N20 O6
Title of publication	Calorimetric study of correlated disordering in [Hdamel]2[Cu(II)(tdpd)2] x 2 THF crystal.
Authors of publication	Yamamura, Yasuhisa; Shimoi, Hiroyasu; Sumita, Masato; Yasuzuka, Syuma; Adachi, Keiichi; Fuyuhiro, Akira; Kawata, Satoshi; Saito, Kazuya
Journal of publication	The journal of physical chemistry. A
Year of publication	2008
Journal volume	112
Journal issue	19
Pages of publication	4465 - 4469
a	8.096 ± 0.003 Å
b	9.908 ± 0.004 Å
c	15.278 ± 0.005 Å
α	96.055 ± 0.009°
β	92.863 ± 0.01°
γ	112.48 ± 0.019°
Cell volume	1120.6 ± 0.7 Å³
Cell temperature	200 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 significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.2538
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504362.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504362.cif
41986	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504362 via cif-deposit CGI script.	1504362.cif