Crystallography Open Database

Information card for entry 7716746

Preview

Coordinates	7716746.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	PB-138
Formula	C10 H5 Fe O6 P
Calculated formula	C10 H5 Fe O6 P
Title of publication	Facile synthesis of five-membered cyclic RE<sub>2</sub>P-H iron(0) complexes.
Authors of publication	Brehm, Philipp C.; Schnakenburg, Gregor; Streubel, Rainer
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	31
Pages of publication	13201 - 13206
a	16.151 ± 0.002 Å
b	10.43 ± 0.0012 Å
c	6.819 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1148.7 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
294571 (current)	2024-09-06	cif/ Updating files of 7716744, 7716745, 7716746 Original log message: Adding full bibliography for 7716744--7716746.cif.	7716746.cif
293549	2024-07-26	cif/ Adding structures of 7716744, 7716745, 7716746 via cif-deposit CGI script.	7716746.cif