Crystallography Open Database

Information card for entry 7032499

Preview

Coordinates	7032499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H58 B4 Cl14 F60 N4 O2 Pb2 Se2
Calculated formula	C98 H44 B4 F60 N4 O2 Pb2 Se2
SMILES	[Pb]123[Se](CC(C)(C)[O]2[Pb]24[Se](CC(C)(C)[O]34)c3ccccc3C[N]2(C)C)c2ccccc2C[N]1(C)C.c1(c(c(c(c(c1F)F)F)F)F)[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)[NH2][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1(c(c(c(c(c1F)F)F)F)F)[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)[NH2][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Title of publication	On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.
Authors of publication	Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	43
Pages of publication	16459 - 16474
a	11.9038 ± 0.0006 Å
b	14.3044 ± 0.0007 Å
c	32.5897 ± 0.0018 Å
α	90°
β	90.138 ± 0.002°
γ	90°
Cell volume	5549.3 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1561
Weighted residual factors for all reflections included in the refinement	0.1612
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
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
180030 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/24.	7032499.cif
126457	2014-11-06	cif/ Updating files of 7032488, 7032489, 7032490, 7032491, 7032492, 7032493, 7032494, 7032495, 7032496, 7032497, 7032498, 7032499, 7032500, 7032501, 7032502, 7032503 Original log message: Adding full bibliography for 7032488--7032503.cif.	7032499.cif
123690	2014-09-11	cif/ Adding structures of 7032488, 7032489, 7032490, 7032491, 7032492, 7032493, 7032494, 7032495, 7032496, 7032497, 7032498, 7032499, 7032500, 7032501, 7032502, 7032503 via cif-deposit CGI script.	7032499.cif