Crystallography Open Database

Information card for entry 4101616

Preview

Coordinates	4101616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.66 H10 B Cl4 N10.33 Re
Calculated formula	C29.66 H10 B Cl4 Cu N10.33 Re
Title of publication	Record ferromagnetic exchange through cyanide and elucidation of the magnetic phase diagram for a Cu(II)Re(IV)(CN)2 chain compound.
Authors of publication	Harris, T. David; Coulon, Claude; Clérac, Rodolphe; Long, Jeffrey R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Journal issue	1
Pages of publication	123 - 130
a	11.4534 ± 0.0007 Å
b	16.2945 ± 0.001 Å
c	22.1655 ± 0.0013 Å
α	90°
β	90.677 ± 0.001°
γ	90°
Cell volume	4136.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1882
Weighted residual factors for all reflections included in the refinement	0.1889
Goodness-of-fit parameter for all reflections included in the refinement	2.824
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4101616.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101616.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101616.cif
21813	2011-06-29	../uploads/cif-deposit/cod/cif Adding structures of 4101616 via cif-deposit CGI script.	4101616.cif