Crystallography Open Database

Information card for entry 4517861

Preview

Coordinates	4517861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 Hf N2
Calculated formula	C26 H40 Hf N2
Title of publication	Enantioselective Living Coordinative Chain Transfer Polymerization: Production of Optically Active End-Group-Functionalized (+)- or (−)-Poly(methylene-1,3-cyclopentane) via a Homochiral C1-Symmetric Caproamidinate Hafnium Initiator
Authors of publication	Wallace, Mark A.; Zavalij, Peter Y.; Sita, Lawrence R.
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	8496 - 8502
a	9.491 ± 0.0004 Å
b	9.491 ± 0.0004 Å
c	27.7364 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2498.47 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0199
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0426
Weighted residual factors for all reflections included in the refinement	0.0429
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
257058 (current)	2020-10-04	cif/ Updating files of 4517861, 4517862 Original log message: Adding full bibliography for 4517861--4517862.cif.	4517861.cif
254406	2020-07-21	cif/ Adding structures of 4517861 via cif-deposit CGI script.	4517861.cif