Crystallography Open Database

Information card for entry 7029726

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Structure parameters

Formula	C36 H44 N P
Calculated formula	C36 H44 N P
Title of publication	Tetrahydropentalenyl-phosphazene constrained geometry complexes of rare-earth metal alkyls.
Authors of publication	Hangaly, Noa K; Petrov, Alexander R; Elfferding, Michael; Harms, Klaus; Sundermeyer, Jörg
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	19
Pages of publication	7109 - 7120
a	9.3612 ± 0.0007 Å
b	23.389 ± 0.002 Å
c	14.744 ± 0.0011 Å
α	90°
β	96.201 ± 0.006°
γ	90°
Cell volume	3209.3 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
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	0.0999
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	0.805
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7029726.cif
180003	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.	7029726.cif
111190	2014-04-21	cif/ Updating files of 7029726 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-12899/cifs/7029726.cif.	7029726.cif
109539	2014-04-16	cif/ Adding structures of 7029725, 7029726, 7029727, 7029728, 7029729, 7029730, 7029731 via cif-deposit CGI script.	7029726.cif