Crystallography Open Database

Information card for entry 4339283

Preview

Coordinates	4339283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H29 Br1.49 N7 O9 Ru
Calculated formula	C39 H29 Br1.489 N7 O9 Ru
Title of publication	Synthesis, characterization, solid-state structures, and spectroscopic properties of two catechol-based luminescent chemosensors for biologically relevant oxometalates.
Authors of publication	Batey, Helen D.; Whitwood, Adrian C.; Duhme-Klair, Anne-K
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6516 - 6528
a	21.159 ± 0.006 Å
b	17.582 ± 0.005 Å
c	22.842 ± 0.007 Å
α	90°
β	98.204 ± 0.007°
γ	90°
Cell volume	8411 ± 4 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	6
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	0.0677
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1349
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
179495 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/92.	4339283.cif
117251	2014-06-14	cif/ Adding structures of 4339283, 4339284 via cif-deposit CGI script.	4339283.cif