Crystallography Open Database

Information card for entry 4077569

Preview

Coordinates	4077569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H27 B F24 Mn O7 P
Calculated formula	C49 H27 B F24 Mn O7 P
Title of publication	Synthesis of and Small Molecule Coordination to Highly Electrophilic Cationic Manganese(I) and Rhenium(I) Carbonyl Complexes with Tied-Back Phosphites
Authors of publication	Fang, Xinggao; Scott, Brian L.; John, Kevin D.; Kubas, Gregory J.
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	20
Pages of publication	4141
a	18.1505 ± 0.0009 Å
b	14.6079 ± 0.0007 Å
c	21.074 ± 0.001 Å
α	90°
β	101.339 ± 0.001°
γ	90°
Cell volume	5478.5 ± 0.5 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0826
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1761
Weighted residual factors for all reflections included in the refinement	0.1948
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178664 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/75.	4077569.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077569.cif
54629	2012-04-28	cif/ Adding structures of 4077569, 4077570, 4077571 via cif-deposit CGI script.	4077569.cif