Crystallography Open Database

Information card for entry 7114996

Preview

Coordinates	7114996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 Mn O6 P
Calculated formula	C26 H24 Mn O6 P
SMILES	[Mn]1234([c]5([c]1(P(c1ccccc1)c1ccccc1)[cH]2[cH]3[cH]45)[C@H]1OCC[C@H](O1)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	7.6659 ± 0.0002 Å
b	17.7774 ± 0.0008 Å
c	18.6479 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2541.33 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1398
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
181910 (current)	2016-04-06	cif/7 Fixing Z values and formulae	7114996.cif
180263	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.	7114996.cif
118466	2014-06-30	cif/ Adding structures of 7114995, 7114996 via cif-deposit CGI script.	7114996.cif