Crystallography Open Database

Information card for entry 7114995

Preview

Coordinates	7114995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 Mn O6 P
Calculated formula	C27 H26 Mn O6 P
SMILES	[Mn]1234([c]5([c]1(P(c1ccccc1)c1ccccc1)[cH]2[cH]3[c]45C)[C@@H]1O[C@@H](CCO1)COC)(C#[O])(C#[O])C#[O]
Title of publication	Synthesis of planar chiral tricarbonylcyclopentadienylmanganese complexes using a Mn(CO)3+ transfer reaction
Authors of publication	Son, Seung Uk; Park, Kang Hyun; Lee, Seung Jung; Chung, Young Keun; Sweigart, Dwight A.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	14
Pages of publication	1290
a	8.0816 ± 0.0007 Å
b	15.039 ± 0.0004 Å
c	10.9049 ± 0.0009 Å
α	90°
β	90.422 ± 0.003°
γ	90°
Cell volume	1325.34 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	0.486
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
180263 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/49.	7114995.cif
118466	2014-06-30	cif/ Adding structures of 7114995, 7114996 via cif-deposit CGI script.	7114995.cif