Crystallography Open Database

Information card for entry 7716745

Preview

Coordinates	7716745.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	PB-272
Formula	C12 H11 Fe N2 O4 P
Calculated formula	C12 H11 Fe N2 O4 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	19.0115 ± 0.0005 Å
b	19.0115 ± 0.0005 Å
c	20.4834 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	6411.6 ± 0.3 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0547
Weighted residual factors for all reflections included in the refinement	0.0563
Goodness-of-fit parameter for all reflections included in the refinement	0.94
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.	7716745.cif
293549	2024-07-26	cif/ Adding structures of 7716744, 7716745, 7716746 via cif-deposit CGI script.	7716745.cif