Crystallography Open Database

Information card for entry 4072969

Preview

Coordinates	4072969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H63 Nd O4 Si6
Calculated formula	C25 H63 Nd O4 Si6
SMILES	[Nd]123([O]([Si](C)(C)[C@@]2([Si](C)(C)C)[Si](C)(C)CC[Si](C)(C)[C@@]3([Si](C)(C)C)[Si]([O]1C)(C)C)C)(OC)[O]1CCCC1
Title of publication	Synthesis and Structures of Ln(II) and Ln(III) Dialkyls Derived from LnI2(Ln = Nd, Tm, Yb)
Authors of publication	Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	10
Pages of publication	2646
a	9.6513 ± 0.0007 Å
b	16.9051 ± 0.0012 Å
c	12.0511 ± 0.0009 Å
α	90°
β	107.46 ± 0.001°
γ	90°
Cell volume	1875.6 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.6751 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178618 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/29.	4072969.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072969.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072969.cif
46088	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072966, 4072967, 4072968, 4072969 via cif-deposit CGI script.	4072969.cif