Crystallography Open Database

Information card for entry 7029713

Preview

Coordinates	7029713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H46 Fe N2 P4
Calculated formula	C39 H46 Fe N2 P4
SMILES	[FeH]12([P](n3cccc3C2c2n([P]1(c1ccccc1)c1ccccc1)ccc2)(c1ccccc1)c1ccccc1)([P](C)(C)C)[P](C)(C)C
Title of publication	A new PC(sp(3))P ligand and its coordination chemistry with low-valent iron, cobalt and nickel complexes.
Authors of publication	Zhu, Gengyu; Li, Xiaoyan; Xu, Guoqiang; Wang, Lin; Sun, Hongjian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	23
Pages of publication	8595 - 8598
a	9.413 ± 0.0019 Å
b	16.606 ± 0.003 Å
c	25.818 ± 0.005 Å
α	90°
β	91.83 ± 0.03°
γ	90°
Cell volume	4033.6 ± 1.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0814
Weighted residual factors for significantly intense reflections	0.2436
Weighted residual factors for all reflections included in the refinement	0.2548
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
180003 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/97.	7029713.cif
116277	2014-06-07	cif/ Updating files of 7029713, 7029714, 7029715, 7029716 Original log message: Adding full bibliography for 7029713--7029716.cif.	7029713.cif
109503	2014-04-15	cif/ Adding structures of 7029713, 7029714, 7029715, 7029716 via cif-deposit CGI script.	7029713.cif