Crystallography Open Database

Information card for entry 4084542

Preview

Coordinates	4084542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H29 Br2 Fe N O P2
Calculated formula	C34 H29 Br2 Fe N O P2
Title of publication	Synthesis of Iron P-N-P′ and P-NH-P′ Asymmetric Hydrogenation Catalysts
Authors of publication	Sonnenberg, Jessica F.; Lough, Alan J.; Morris, Robert H.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	22
Pages of publication	6452
a	10.2441 ± 0.0009 Å
b	12.592 ± 0.0012 Å
c	28.518 ± 0.003 Å
α	90°
β	92.532 ± 0.002°
γ	90°
Cell volume	3675.1 ± 0.6 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 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	0.0577
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
178734 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/45.	4084542.cif
131427	2015-02-07	cif/ Updating files of 4084538, 4084539, 4084540, 4084541, 4084542, 4084543 Original log message: Adding full bibliography for 4084538--4084543.cif.	4084542.cif
125783	2014-10-23	cif/ Adding structures of 4084538, 4084539, 4084540, 4084541, 4084542, 4084543 via cif-deposit CGI script.	4084542.cif